2-[[5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)COC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)COC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H23FN4O2S/c1-4-26-19(12-28-18-11-14(2)9-10-15(18)3)24-25-21(26)29-13-20(27)23-17-8-6-5-7-16(17)22/h5-11H,4,12-13H2,1-3H3,(H,23,27)